Compounds

ALA1566

Name:
5-{5-[3,4-Dihydroxy-6-methyl-5-(4,5,6-trihydroxy-3-hydroxymethyl-cyclohex-2Show More⌵

Mol. Formula:
C25H43NO18

M.W.:
645.61

2,470 activity values

179 unique targets

Type:
Oligosaccharide

AlogP:
-8.56

Polar Surface Area:
321.17

HBA:
19

HBD:
14

#RO5 Violations:
3

#Rotatable Bonds:
9

Passes Ro3:
N

QED Weighted:
0.10

DETAILS

ALA178080

Name:
3-(3,4-Dihydro-1H-isoquinolin-2-yl)-1-naphthalen-1-yl-9,10-dihydro-phenanthShow More⌵

Mol. Formula:
C34H26N2

M.W.:
462.60

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.71

Polar Surface Area:
27.03

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.27

DETAILS

ALA360975

Name:
6-(4-Bromo-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-2H-pyran-3-carShow More⌵

Mol. Formula:
C21H15BrN2O2

M.W.:
407.27

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.50

Polar Surface Area:
57.24

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.63

DETAILS

ALA368911

Name:
4-(4-Chloro-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8,9,10-hexahyShow More⌵

Mol. Formula:
C28H27ClN2

M.W.:
426.99

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
7.10

Polar Surface Area:
27.03

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA362813

Name:
4-(4-Chloro-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7,8,9-tetrahydro-Show More⌵

Mol. Formula:
C27H25ClN2

M.W.:
412.96

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.71

Polar Surface Area:
27.03

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.44

DETAILS

ALA360911

Name:
6-(4-Chloro-phenyl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-2H-pyran-3-caShow More⌵

Mol. Formula:
C21H15ClN2O2

M.W.:
362.82

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
4.39

Polar Surface Area:
57.24

HBA:
4

HBD:
---

#RO5 Violations:
---

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.68

DETAILS

ALA362641

Name:
4-(4-Chloro-phenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydro-Show More⌵

Mol. Formula:
C26H23ClN2

M.W.:
398.94

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.32

Polar Surface Area:
27.03

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.50

DETAILS

ALA181136

Name:
3-(3,4-Dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydro-[1,1'']binaphthalenyShow More⌵

Mol. Formula:
C30H26N2

M.W.:
414.55

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.82

Polar Surface Area:
27.03

HBA:
2

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.36

DETAILS

ALA426248

Name:
5-Pyren-1-yl-3-pyrrolidin-1-yl-4''-trifluoromethyl-biphenyl-2-carbonitrile

Mol. Formula:
C34H23F3N2

M.W.:
516.57

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
9.41

Polar Surface Area:
27.03

HBA:
2

HBD:
---

#RO5 Violations:
2

#Rotatable Bonds:
3

Passes Ro3:
N

QED Weighted:
0.22

DETAILS

ALA181325

Name:
6-(3,4-Dihydro-1H-isoquinolin-2-yl)-8-naphthalen-1-yl-isothiochroman-5-carbShow More⌵

Mol. Formula:
C29H24N2S

M.W.:
432.59

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
6.73

Polar Surface Area:
27.03

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.35

DETAILS

ALA178615

Name:
3-(3,4-Dihydro-1H-isoquinolin-2-yl)-1-naphthalen-1-yl-10H-9-thia-phenanthreShow More⌵

Mol. Formula:
C33H24N2S

M.W.:
480.64

2 activity values

2 unique targets

Type:
Small molecule

AlogP:
8.21

Polar Surface Area:
27.03

HBA:
3

HBD:
---

#RO5 Violations:
1

#Rotatable Bonds:
2

Passes Ro3:
N

QED Weighted:
0.25

DETAILS